[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO5/c1-29(2,3)22-12-9-20(10-13-22)27(32)34-23-14-11-21-17-24(28(33)35-25(21)18-23)26(31)30-16-15-19-7-5-4-6-8-19/h4-14,17-18H,15-16H2,1-3H3,(H,30,31)